2,3-dibromo-7,8-dichlorodibenzo-p-dioxin

Synonyms: "2,3-dibromo,7,8-dichloro-dibenzo-dioxin", "2,3-dibromo-7,8-dichlorooxanthrene"

Source: 2,3-dibromo-7,8-dichlorodibenzo-p-dioxin is a mixed bromo/chloro congener of dibenzodioxins, which is produced during the incineration of these chemicals.

Identifiers:

IUPAC Name: 2,3-dibromo-7,8-dichlorodibenzo-p-dioxin
CAS Number: 50585-40-5
PubChem ID: 39728
InChiKey: SBSJXPIUKNBZND-UHFFFAOYSA-N
Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₄Br₂Cl₂O₂
Molecular Weight: 410.873

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Mason G, Zacharewski T, Denomme MA, Safe L, Safe S. 1987. Polybrominated dibenzo-p-dioxins and related compounds: Quantitative in vivo and in vitro structure-activity relationships. Toxicology 44(3):245-255, DOI: 10.1016/0300-483X(87)90027-8.

Schulz-Schalge T, Koch E, Schwind KH, Hutzinger O, Neubert D. 1991. Inductive potency of TCDD, TBDD and three 2,3,7,8-mixed-halogenated dioxins in liver microsomes of male rats. Enzyme kinetic considerations. Chemosphere 23(11-12):1925-1931.